2-Aminomalononitrile 4-methylbenzenesulphonate supplier

Name
AMINOMALONONITRILE P-TOLUENESULFONATE
EINECS 225-817-1
CAS No. 5098-14-6
Article Data3
CAS DataBase
Density g/cm³
Solubility almost transparency
Melting Point 174 °C (dec.)(lit.)
Formula C₇H₈O₃S^.C₃H₃N₃
Boiling Point 484°Cat760mmHg
Molecular Weight 253.282
Flash Point 246.5°C
Transport Information
Appearance
Safety 4050747
Risk Codes R20/21/22
Molecular Structure
Hazard Symbols
Synonyms Aminomalononitrile p-toluenesulfonate
PSA 136.35000
LogP 2.38366

Synthetic route

: malononitrile sodium salt

: 104-15-4
toluene-4-sulfonic acid

: 5098-14-6
2-aminomalononitrile p-toluenesulfonate

Conditions

Conditions	Yield
With mesitylenesulfonylhydroxylamine 1.) THF, 0 deg C, 2.5 h; 2.) 0 deg C, 1 h; Yield given. Multistep reaction;

: 109-77-3
malononitrile

: 5098-14-6
2-aminomalononitrile p-toluenesulfonate

Conditions

Conditions	Yield
With O-(diphenylphosphinyl)hydroxylamine; sodium hydride 1.) THF, room temp., 1 h, 2.) THF, -78 deg C, 2 h, room temp.; Yield given. Multistep reaction;

: 36568-05-5
2-(hydroxyimino)malononitrile

: 109-77-3
malononitrile

: 5098-14-6
2-aminomalononitrile p-toluenesulfonate

Conditions

Conditions	Yield
With sulfuric acid; toluene-4-sulfonic acid; acetic acid; sodium nitrite; Pt/C In water; toluene

: 67-56-1
methanol

: 89-98-5
2-chloro-benzaldehyde

: 5098-14-6
2-aminomalononitrile p-toluenesulfonate

: 126210-91-1
(E)-3-Amino-2-{[1-(2-chloro-phenyl)-meth-(E)-ylidene]-amino}-3-methoxy-acrylonitrile

Conditions

Conditions	Yield
With sodium acetate at 22 - 24℃; for 6h;	99%

...Expand

: 67-56-1
methanol

: 555-16-8
4-nitrobenzaldehdye

: 5098-14-6
2-aminomalononitrile p-toluenesulfonate

: 126210-93-3
(E,E)-4-amino-3-cyano-4-methoxy-1-(4-nitrophenyl)-2-aza-1,3-butadiene

Conditions

Conditions	Yield
With sodium acetate at 22 - 24℃; for 13h;	99%

...Expand

: 5098-14-6
2-aminomalononitrile p-toluenesulfonate

: 2131-55-7
4-Chlorophenyl isothiocyanate

: 134312-08-6
5-amino-2-<(4-chlorophenyl)amino>-4-cyanothiazole

Conditions

Conditions	Yield
With 1-methyl-pyrrolidin-2-one at 22 - 24℃; for 20h;	96%
With 1-methyl-pyrrolidin-2-one at 22 - 24℃;	58%

: 403-43-0
4-fluorobenzoyl chloride

: 5098-14-6
2-aminomalononitrile p-toluenesulfonate

: 958633-52-8
5-amino-2-(4-fluorophenyl)oxazole-4-carbonitrile

Conditions

Conditions	Yield
In 1-methyl-pyrrolidin-2-one at 120℃; Microwave irradiation;	96%
In 1-methyl-pyrrolidin-2-one at 20℃; for 144h;	53%

: 532-54-7
oxo-phenyl-acetaldehyde oxime

: 5098-14-6
2-aminomalononitrile p-toluenesulfonate

: 50627-20-8
2-amino-3-cyano-5-phenylpyrazine-1-N-oxide

Conditions

Conditions	Yield
In isopropyl alcohol at 20℃; for 48h; Inert atmosphere;	95%
With toluene-4-sulfonic acid In isopropyl alcohol for 5h; Ambient temperature; Yield given;

: 5098-14-6
2-aminomalononitrile p-toluenesulfonate

: 98-88-4
benzoyl chloride

: 5098-18-0
5-amino-2-phenyl[1,3]oxazole-4-carbonitrile

Conditions

Conditions	Yield
In 1-methyl-pyrrolidin-2-one at 120℃; Microwave irradiation;	95%
In various solvent(s) at 23 - 25℃;	93%
In 1-methyl-pyrrolidin-2-one at 20℃; for 12h;	79%
In 1-methyl-pyrrolidin-2-one at 20℃; for 192h;	57%
In 1-methyl-pyrrolidin-2-one at 20℃;

: 5098-14-6
2-aminomalononitrile p-toluenesulfonate

: 122-04-3
4-nitro-benzoyl chloride

: 53657-73-1
2-(4-nitrophenyl)-5-amino-4-cyano-1,3-oxazole

Conditions

Conditions	Yield
In various solvent(s) at 23 - 25℃;	95%
In 1-methyl-pyrrolidin-2-one at 20℃; for 168h;	90%

: 6068-72-0
4-cyanobenzoyl chlorIde

: 5098-14-6
2-aminomalononitrile p-toluenesulfonate

: 906512-02-5
5-amino-2-(4-cyanophenyl)oxazole-4-carbonitrile

Conditions

Conditions	Yield
In 1-methyl-pyrrolidin-2-one at 120℃; Microwave irradiation;	95%

: 5098-14-6
2-aminomalononitrile p-toluenesulfonate

: 100-07-2
4-methoxy-benzoyl chloride

: 53657-71-9
5-amino-2-(4-methoxyphenyl)[1,3]oxazole-4-carbonitrile

Conditions

Conditions	Yield
In 1-methyl-pyrrolidin-2-one at 120℃; Microwave irradiation;	94%
In various solvent(s) at 23 - 25℃;	51%
In 1-methyl-pyrrolidin-2-one at 20℃; for 12h;	51%
In 1-methyl-pyrrolidin-2-one at 20℃;

: 5271-67-0
2-Thiophenecarbonyl chloride

: 5098-14-6
2-aminomalononitrile p-toluenesulfonate

: 909077-40-3
5-amino-2-(thiophen-2-yl)oxazole-4-carbonitrile

Conditions

Conditions	Yield
In 1-methyl-pyrrolidin-2-one at 120℃; Microwave irradiation;	94%
In 1-methyl-pyrrolidin-2-one at 20℃; for 144h;	6%

: 67867-33-8
(E)-2-(furan-2-yl)-2-oxoacetaldehyde oxime

: 5098-14-6
2-aminomalononitrile p-toluenesulfonate

: 120930-04-3
2-amino-3-cyano-5-(furan-2-yl)pyrazine 1-oxide

Conditions

Conditions	Yield
In isopropyl alcohol at 20℃; for 70h;	92%
In isopropyl alcohol at 20℃; for 70h;	92%
In isopropyl alcohol for 88h; Ambient temperature;	68%

: 67-56-1
methanol

: 5098-14-6
2-aminomalononitrile p-toluenesulfonate

: 6630-33-7
ortho-bromobenzaldehyde

: 126249-12-5
(E)-3-Amino-2-{[1-(2-bromo-phenyl)-meth-(E)-ylidene]-amino}-3-methoxy-acrylonitrile

Conditions

Conditions	Yield
With sodium acetate at 22 - 24℃; for 3h;	92%

...Expand

: 32315-10-9
bis(trichloromethyl) carbonate

: 85118-06-5
2,5-difluorobenzylamine

: 5098-14-6
2-aminomalononitrile p-toluenesulfonate

: 417942-76-8
5-amino-4-cyano-1-(2,5-difluorobenzyl)-2-hydroxyimidazole

Conditions

Conditions	Yield
Stage #1: bis(trichloromethyl) carbonate; 2,5-difluorobenzylamine With N-ethyl-N,N-diisopropylamine In tetrahydrofuran at -78℃; Stage #2: 2-aminomalononitrile p-toluenesulfonate With N-ethyl-N,N-diisopropylamine In tetrahydrofuran at 20℃; for 24h;	92%

...Expand

: 1871-76-7
diphenylacetic acid chloride

: 5098-14-6
2-aminomalononitrile p-toluenesulfonate

: 1465971-36-1
5-amino-2-benzhydryl-4-cyano-1,3-oxazole

Conditions

Conditions	Yield
In 1-methyl-pyrrolidin-2-one at 20℃;	92%

: 62965-10-0
(S)-N-carbobenzoxy-tert-butylleucine

: 5098-14-6
2-aminomalononitrile p-toluenesulfonate

: benzyl (S)-(1-(4-amino-5-cyanooxazol-2-yl)-2,2-dimethylpropyl)carbamate

Conditions

Conditions	Yield
With pyridine; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride at 20℃; for 18h;	92%

: 5098-14-6
2-aminomalononitrile p-toluenesulfonate

: 132740-43-3
4-fluorobenzylisocyanate

: 226908-37-8
5-amino-4-cyano-1-(4-fluorobenzyl)-2-hydroxyimidazole

Conditions

Conditions	Yield
With N-ethyl-N,N-diisopropylamine In tetrahydrofuran; ethyl acetate	89%
With N-ethyl-N,N-diisopropylamine In tetrahydrofuran at 20℃; for 24h;

: 3095-95-2
diethylphosphonoacetic acid

: 5098-14-6
2-aminomalononitrile p-toluenesulfonate

: O,O-diethyl {2-[5-amino-4-cyano-2-(1,3-oxazolyl)methyl]}phosphonate

Conditions

Conditions	Yield
With dicyclohexyl-carbodiimide In pyridine	86%

: 622-78-6
Benzyl isothiocyanate

: 5098-14-6
2-aminomalononitrile p-toluenesulfonate

: 624737-93-5
5-amino-2-(benzylamino)-1,3-thiazole-4-carbonitrile

Conditions

Conditions	Yield
With N-ethyl-N,N-diisopropylamine In tetrahydrofuran at 40℃; for 72h;	86%
With N-ethyl-N,N-diisopropylamine In tetrahydrofuran at 20 - 40℃; for 72h; Inert atmosphere;	68%

: 5098-14-6
2-aminomalononitrile p-toluenesulfonate

: 3173-56-6
benzyl isothiocyanate

: 226908-19-6
5-amino-1-benzyl-4-cyano-2-hydroxyimidazole

Conditions

Conditions	Yield
With N-ethyl-N,N-diisopropylamine In tetrahydrofuran at 20℃; for 24h;	85%
With N-ethyl-N,N-diisopropylamine In tetrahydrofuran at 20℃; for 24h;
With sodium hydroxide; N-ethyl-N,N-diisopropylamine In tetrahydrofuran; ethyl acetate	106%

: 177348-43-5
4,5-dicyano-2-pentylimidazole

: 5098-14-6
2-aminomalononitrile p-toluenesulfonate

: 2854-16-2
1-Amino-2-methyl-propan-2-ol

: 1535168-75-2
5-amino-1-(2-hydroxy-2-methylpropyl)-2-pentyl-1H-imidazole-4-carbonitrile

Conditions

Conditions	Yield
Stage #1: 2-aminomalononitrile p-toluenesulfonate With triethylamine In tetrahydrofuran at 25℃; for 0.5h; Stage #2: 4,5-dicyano-2-pentylimidazole In tetrahydrofuran for 3h; Reflux; Stage #3: 1-Amino-2-methyl-propan-2-ol In tetrahydrofuran at 25℃; for 15h;	85%

...Expand

: 5098-14-6
2-aminomalononitrile p-toluenesulfonate

: 2284-20-0
4-Methoxyphenyl isothiocyanate

: 134312-06-4
5-amino-4-cyano-2-<(4-methoxyphenyl)amino>thiazole

Conditions

Conditions	Yield
With 1-methyl-pyrrolidin-2-one at 22 - 24℃; for 20h;	83%
With 1-methyl-pyrrolidin-2-one at 22 - 24℃;	55%

: 919-29-9
triethyl orthovalerate

: 5098-14-6
2-aminomalononitrile p-toluenesulfonate

: 2854-16-2
1-Amino-2-methyl-propan-2-ol

: 1375262-90-0
5-amino-2-butyl-1-(2-hydroxy-2-methylpropyl)-1H-imidazole-4-carbonitrile

Conditions

Conditions	Yield
Stage #1: triethyl orthovalerate; 2-aminomalononitrile p-toluenesulfonate With triethylamine In tetrahydrofuran at 25℃; for 5h; Inert atmosphere; Reflux; Stage #2: 1-Amino-2-methyl-propan-2-ol With triethylamine In tetrahydrofuran at 25℃; for 15h; Inert atmosphere;	83%
Stage #1: triethyl orthovalerate; 2-aminomalononitrile p-toluenesulfonate With triethylamine In tetrahydrofuran for 5h; Reflux; Stage #2: 1-Amino-2-methyl-propan-2-ol With triethylamine In tetrahydrofuran at 25℃; for 15h;	83%

...Expand

: 3282-30-2
pivaloyl chloride

: 5098-14-6
2-aminomalononitrile p-toluenesulfonate

: 958633-58-4
2-(t-butyl)-4-cyano-5-(2,2-dimethylpropanoyl)amino-1,3-oxazole

Conditions

Conditions	Yield
In 1-methyl-pyrrolidin-2-one at 20℃; for 72h;	82%

: 5098-14-6
2-aminomalononitrile p-toluenesulfonate

: 2131-61-5
p-nitrophenyl isothiocyanate

: 134312-09-7
5-amino-4-cyano-1-<(4-nitrophenyl)amino>thiazole

Conditions

Conditions	Yield
With 1-methyl-pyrrolidin-2-one at 22 - 24℃;	81%

: 5098-14-6
2-aminomalononitrile p-toluenesulfonate

: 78-94-4
methyl vinyl ketone

: 5,5-dicyano-2-methyl-3H-pyrroline

Conditions

Conditions	Yield
With triethylamine In dichloromethane at 25℃; for 4h;	81%

: 5098-14-6
2-aminomalononitrile p-toluenesulfonate

: 4023-34-1
cyclopropanecarboxylic acid chloride

: 5-amino-2-cyclopropyl-1,3-oxazole-4-carbonitrile

Conditions

Conditions	Yield
In 1-methyl-pyrrolidin-2-one at 120℃; Microwave irradiation;	81%

: 5098-14-6
2-aminomalononitrile p-toluenesulfonate

: 79-30-1
isobutyryl chloride

: 124927-63-5
2-isopropyl-5-amino-4-cyano-1,3-oxazole

Conditions

Conditions	Yield
In various solvent(s) at 23 - 25℃;	80%

: 67-56-1
methanol

: 5098-14-6
2-aminomalononitrile p-toluenesulfonate

: 552-89-6
2-nitro-benzaldehyde

: 126210-92-2
(E)-3-Amino-3-methoxy-2-{[1-(2-nitro-phenyl)-meth-(E)-ylidene]-amino}-acrylonitrile

Conditions

Conditions	Yield
With sodium acetate at 22 - 24℃; for 72h;	80%

...Expand

: 2799-17-9
(S)-1-amino-2-propanol

: 13820-09-2
trimethyl orthovalerate

: 5098-14-6
2-aminomalononitrile p-toluenesulfonate

: 1535168-78-5
(S)-5-amino-2-butyl-1-(2-hydroxypropyl)-1H-imidazole-4-carbonitrile

Conditions

Conditions	Yield
Stage #1: 2-aminomalononitrile p-toluenesulfonate With triethylamine In tetrahydrofuran at 25℃; for 0.5h; Stage #2: trimethyl orthovalerate In tetrahydrofuran for 3h; Reflux; Stage #3: (S)-1-amino-2-propanol In tetrahydrofuran at 25℃; for 15h;	80%

...Expand

: 18542-42-2
(2-aminoethyl)methylsulfide

: 13820-09-2
trimethyl orthovalerate

: 5098-14-6
2-aminomalononitrile p-toluenesulfonate

: 5-amino-2-butyl-1-(2-(methylthio)ethyl)-1H-imidazole-4-carbonitrile

Conditions

Conditions	Yield
Stage #1: 2-aminomalononitrile p-toluenesulfonate With triethylamine In tetrahydrofuran at 25℃; Stage #2: trimethyl orthovalerate In tetrahydrofuran for 3.5h; Reflux; Inert atmosphere; Stage #3: (2-aminoethyl)methylsulfide With triethylamine In tetrahydrofuran at 25℃; for 18h;	78.5%

...Expand

2-Aminomalononitrile 4-methylbenzenesulphonate Chemical Properties

Molecular Structure of 2-Aminomalononitrile 4-methylbenzenesulphonate (CAS No.5098-14-6):

Molecular Formula: C₁₀H₁₁N₃O₃S
Molecular Weight: 253.2776
CAS No: 5098-14-6
H bond acceptors: 3
H bond donors: 1
Freely Rotating Bonds: 1
Polar Surface Area: 51.75 Å²
Flash Point: 246.5 °C
Enthalpy of Vaporization: 78.92 kJ/mol
Boiling Point: 484 °C at 760 mmHg
Vapour Pressure: 3.51E-10 mmHg at 25°C
InChI: InChI=1/C₇H₈O₃S.C₃H₃N₃/c1-6-2-4-7(5-3-6)11(8,9)10;4-1-3(6)2-5/h2-5H,1H3,(H,8,9,10);3H,6H2
InChIKey: MEUWQVWJLLBVQI-UHFFFAOYAV
Std. InChI: InChI=1S/C₇H₈O₃S.C₃H₃N₃/c1-6-2-4-7(5-3-6)11(8,9)10;4-1-3(6)2-5/h2-5H,1H3,(H,8,9,10);3H,6H2
Std. InChIKey: MEUWQVWJLLBVQI-UHFFFAOYSA-N
Product Categories: Aromatic Esters;C1 to C5;Cyanides/Nitriles;Nitrogen Compounds
IUPAC Name: 2-Aminopropanedinitrile; 4-methylbenzenesulfonic acid

2-Aminomalononitrile 4-methylbenzenesulphonate Safety Profile

Hazard Codes: Harmful Xn
Risk Statements: 20/21/22
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.
Safety Statements: 36
S36:Wear suitable protective clothing.
RIDADR: 3439
WGK Germany: 3
HazardClass: 6.1
PackingGroup: III

2-Aminomalononitrile 4-methylbenzenesulphonate Specification

2-Aminomalononitrile 4-methylbenzenesulphonate (CAS No.5098-14-6), its synonyms are Aminomalononitrile 4-methylbenzenesulfonate (1:1) ; Dicyanomethanaminium 4-methylbenzenesulfonate ; Propanedinitrile, 2-amino-, 4-methylbenzenesulfonate (1:1) .

Product Name

AMINOMALONONITRILE P-TOLUENESULFONATE

Synthetic route

2-Aminomalononitrile 4-methylbenzenesulphonate Chemical Properties

2-Aminomalononitrile 4-methylbenzenesulphonate Safety Profile

2-Aminomalononitrile 4-methylbenzenesulphonate Specification

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